2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide

C14H18Cl2N2O — CID 116674633

IUPAC2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-8(10-6-17-7-10)14(19)18-9(2)12-4-3-11(15)5-13(12)16/h3-5,8-10,17H,6-7H2,1-2H3,(H,18,19)
InChIKeySTFHTDUDLVOOSC-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.03
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide

2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 116674633) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID116674633
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-8(10-6-17-7-10)14(19)18-9(2)12-4-3-11(15)5-13(12)16/h3-5,8-10,17H,6-7H2,1-2H3,(H,18,19)
InChIKeySTFHTDUDLVOOSC-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130681
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (CID 116674633) is 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is CC(NC(=O)C(C)C1CNC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is STFHTDUDLVOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8(10-6-17-7-10)14(19)18-9(2)12-4-3-11(15)5-13(12)16/h3-5,8-10,17H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 301.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 116674633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).